[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-ethyl-1H-pyrazol-4-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-ethyl-1H-pyrazol-4-yl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-ethyl-1H-pyrazol-4-yl)methanone
Compound characteristics
Compound ID: | S988-0990 |
Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-ethyl-1H-pyrazol-4-yl)methanone |
Molecular Weight: | 420.47 |
Molecular Formula: | C22 H24 N6 O3 |
Smiles: | CCn1cc(cn1)C(N1C[C@H]2CN(C[C@]2(C1)c1nc(C)no1)C(c1ccccc1)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.7811 |
logD: | 0.7811 |
logSw: | -1.3166 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 79.521 |
InChI Key: | LAABCMRNBHOCFS-PGRDOPGGSA-N |